2-[4-[(1Z,3Z)-penta-1,3-dienyl]-1,2,3,6-tetrahydropyridin-3-yl]ethanamine

C12H20N2 — CID 89361478

IUPAC2-[4-[(1Z,3Z)-penta-1,3-dienyl]-1,2,3,6-tetrahydropyridin-3-yl]ethanamine
SMILESC/C=C\C=C/C1=CCNCC1CCN
InChIInChI=1S/C12H20N2/c1-2-3-4-5-11-7-9-14-10-12(11)6-8-13/h2-5,7,12,14H,6,8-10,13H2,1H3/b3-2-,5-4-
InChIKeyKTUZBQRJDKCCGV-LDIADDGTSA-N
MW192.31 g/mol
LogP1.61
Rot. Bonds4

About 2-[4-[(1Z,3Z)-penta-1,3-dienyl]-1,2,3,6-tetrahydropyridin-3-yl]ethanamine

2-[4-[(1Z,3Z)-penta-1,3-dienyl]-1,2,3,6-tetrahydropyridin-3-yl]ethanamine (PubChem CID 89361478) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-[4-[(1Z,3Z)-penta-1,3-dienyl]-1,2,3,6-tetrahydropyridin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[(1Z,3Z)-penta-1,3-dienyl]-1,2,3,6-tetrahydropyridin-3-yl]ethanamine
PubChem CID89361478
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-[4-[(1Z,3Z)-penta-1,3-dienyl]-1,2,3,6-tetrahydropyridin-3-yl]ethanamine
SMILESC/C=C\C=C/C1=CCNCC1CCN
InChIInChI=1S/C12H20N2/c1-2-3-4-5-11-7-9-14-10-12(11)6-8-13/h2-5,7,12,14H,6,8-10,13H2,1H3/b3-2-,5-4-
InChIKeyKTUZBQRJDKCCGV-LDIADDGTSA-N
XLogP1.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1Z,3Z)-penta-1,3-dienyl]-1,2,3,6-tetrahydropyridin-3-yl]ethanamine?
The IUPAC name of 2-[4-[(1Z,3Z)-penta-1,3-dienyl]-1,2,3,6-tetrahydropyridin-3-yl]ethanamine (CID 89361478) is 2-[4-[(1Z,3Z)-penta-1,3-dienyl]-1,2,3,6-tetrahydropyridin-3-yl]ethanamine.
What is the SMILES notation for 2-[4-[(1Z,3Z)-penta-1,3-dienyl]-1,2,3,6-tetrahydropyridin-3-yl]ethanamine?
The canonical SMILES for 2-[4-[(1Z,3Z)-penta-1,3-dienyl]-1,2,3,6-tetrahydropyridin-3-yl]ethanamine is C/C=C\C=C/C1=CCNCC1CCN.
What is the InChIKey of 2-[4-[(1Z,3Z)-penta-1,3-dienyl]-1,2,3,6-tetrahydropyridin-3-yl]ethanamine?
The InChIKey is KTUZBQRJDKCCGV-LDIADDGTSA-N. The full InChI is InChI=1S/C12H20N2/c1-2-3-4-5-11-7-9-14-10-12(11)6-8-13/h2-5,7,12,14H,6,8-10,13H2,1H3/b3-2-,5-4-.
What are the key properties of 2-[4-[(1Z,3Z)-penta-1,3-dienyl]-1,2,3,6-tetrahydropyridin-3-yl]ethanamine?
2-[4-[(1Z,3Z)-penta-1,3-dienyl]-1,2,3,6-tetrahydropyridin-3-yl]ethanamine has a molecular weight of 192.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1Z,3Z)-penta-1,3-dienyl]-1,2,3,6-tetrahydropyridin-3-yl]ethanamine is sourced from PubChem (CID 89361478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).